SCHEMBL31490948

SCHEMBL31490948

NC(=O)c1cccc(O)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
FAAH O00519 2/20 0.39
EPHX2 P34913 1/20 0.39
RAB9A P51151 1/20 0.39
NPC1 O15118 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18040209 0.85 KDM4E (0.49) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL3752942 0.80 MEN1 (0.52) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL28197969 0.77 LMNA (0.47) ALDH1A1KDM4EMAPTHPGDTSHR
Salicylamide SCHEMBL22190934 0.75 KDM4E (0.58) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL548653 0.74 MEN1 (0.59) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL5834020 0.74 KDM4E (0.51) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL549642 0.74 MEN1 (0.46) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL27419644 0.73 MEN1 (0.44) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL27705429 0.73 MEN1 (0.44) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL12760778 0.72 ERN1 (0.47) ALDH1A1KDM4EMAPTHPGDTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119822990-A Adamantane isopropanolamine structure compound and preparation method and application thereof 贵州大学 2025-04-15 CN disclosed